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BioLiP

PDB CCD ID: 767
Number of entries in BioLiP: 2
Chemical formula: C17 H27 N5 O2
InChI: InChI=1S/C17H27N5O2/c1-21(2)9-7-8-18-17-19-13-11-15(24-6)14(23-5)10-12(13)16(20-17)22(3)4/h10-11H,7-9H2,1-6H3,(H,18,19,20)
InChIKey: OGNSGOBRJCYTGK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1cc2nc(NCCCN(C)C)nc(N(C)C)c2cc1OC
OpenEye OEToolkits 2.0.5CN(C)CCCNc1nc2cc(c(cc2c(n1)N(C)C)OC)OC
Name:N2-(3-(dimethylamino)propyl)-6,7-dimethoxy-N4,N4-dimethylquinazoline-2,4-diamine
ZINC: ZINC000584905106
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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